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p-fluoroanilinium | 29131-39-3

中文名称
——
中文别名
——
英文名称
p-fluoroanilinium
英文别名
p-fanilinium;4-fluoro-aniline; protonated form;4-fluoro-anilinium cation;4-Fluoranilinium-Kation;p-Fluoranilinium;(4-Fluorophenyl)azanium
p-fluoroanilinium化学式
CAS
29131-39-3
化学式
C6H7FN
mdl
——
分子量
112.127
InChiKey
KRZCOLNOCZKSDF-UHFFFAOYSA-O
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.1
  • 重原子数:
    8
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    27.6
  • 氢给体数:
    1
  • 氢受体数:
    1

反应信息

  • 作为产物:
    描述:
    1-氯-4-氟苯 作用下, 生成 p-fluoroanilinium
    参考文献:
    名称:
    Chemical Reactivity in Microscopic Systems: The Nucleophilic Substitution of Halogenated Benzene Ions by Ammonia Studied in Molecular Clusters
    摘要:
    The reactivity of small dihalogenated benzene ions clustered with ammonia has been investigated through mass-selected two-color two-photon ionization. Two reaction channels are evidenced: halogen elimination and hydrogen halide elimination. Appearance thresholds of the different reactive paths have been measured as well as the kinetics of the reactions. From these measurements, a new reactive scheme is proposed.
    DOI:
    10.1021/j100037a020
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文献信息

  • Ionic substitution reaction in small dihalogenated benzene-(NH3) clusters studied through threshold photoelectron-photoion coincidences
    作者:C. Dedonder-Lardeux、I. Dimicoli、C. Jouvet、S. Martrenchard-Barra、M. Richard-Viard、D. Solgadi、M. Vervloet
    DOI:10.1016/0009-2614(95)00521-5
    日期:1995.6
    Substitution reactions in small ionic fluorochlorobenzene-(NH3)n clusters have been studied through threshold photoelectron-photoion coincidence techniques using synchroton radiation. In this experiment the internal energy of the cluster ion is well defined and therefore the change of the reactive pathways with the internal energy content of the parent ion can be evidenced.
    通过阈值光电子-光子重合技术,采用同步辐射,研究了离子型小氟氯苯-(NH 3)n簇中的取代反应。在该实验中,团簇离子的内部能量得到了很好的定义,因此可以证明反应路径随母体离子的内部能量含量的变化。
  • Thölmann, Detlef; Grützmacher, Hans-Friedrich, Journal of the American Chemical Society, 1991, vol. 113, # 9, p. 3281 - 3287
    作者:Thölmann, Detlef、Grützmacher, Hans-Friedrich
    DOI:——
    日期:——
  • Brutschy, Bernhard, Berichte der Bunsen-Gesellschaft, 1992, vol. 96, # 9, p. 1154 - 1160
    作者:Brutschy, Bernhard
    DOI:——
    日期:——
  • Chemical Reactivity in Microscopic Systems: The Nucleophilic Substitution of Halogenated Benzene Ions by Ammonia Studied in Molecular Clusters
    作者:S. Martrenchard-Barra、C. Dedonder-Lardeux、C. Jouvet、U. Rockland、D. Solgadi
    DOI:10.1021/j100037a020
    日期:1995.9
    The reactivity of small dihalogenated benzene ions clustered with ammonia has been investigated through mass-selected two-color two-photon ionization. Two reaction channels are evidenced: halogen elimination and hydrogen halide elimination. Appearance thresholds of the different reactive paths have been measured as well as the kinetics of the reactions. From these measurements, a new reactive scheme is proposed.
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